SCHEMBL7767430

SCHEMBL7767430

Nc1nc(=S)[nH]c(N)c1N=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL439475 0.64 CDK2 (0.61) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL12464663 0.64
SCHEMBL10780551 0.64 CDK1 (0.53) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL28538636 0.64 CDK1 (1.00) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL9148762 0.62 ALDH1A1 (0.36) CDK2CDK1CDK4MAPTKMT2A
SCHEMBL4458080 0.61 CDK2 (0.41) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL7766477 0.61 CDK2 (0.45) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL14490772 0.61 CDK2 (0.47) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL7767432 0.61 CDK2 (0.45) CDK2CDK1CDK4MAPTKDM4E
SCHEMBL11121357 0.59 CDK2 (0.55) CDK2CDK1CDK4MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed